[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (4E)-4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=C2CCC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=NC4=CC=CC=C41

InChI

InChI=1S/C24H21N3O5/c1-14(23(25)28)32-24(29)21-18-9-2-3-11-20(18)26-22-16(7-5-10-19(21)22)12-15-6-4-8-17(13-15)27(30)31/h2-4,6,8-9,11-14H,5,7,10H2,1H3,(H2,25,28)/b16-12+/t14-/m0/s1